5-(7-Hydroxy-2-oxochromen-4-yl)pentanoic acid | 182060-42-0

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 香豆素及其衍生物
• 英文名称: 5-(7-Hydroxy-2-oxochromen-4-yl)pentanoic acid
• CAS: 182060-42-0
• 化学式: C₁₄H₁₄O₅
• 分子量: 262.262
• InChiKey: QPVYEBKFFJLOCM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  19
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  83.8
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  1-Methylene-pyrrolidinium 、 5-(7-Hydroxy-2-oxochromen-4-yl)pentanoic acid 以 乙醇 为溶剂， 反应 3.0h， 以48%的产率得到5-[7-Hydroxy-2-oxo-8-(pyrrolidin-1-ylmethyl)chromen-4-yl]pentanoic acid
  参考文献：
  名称：

  Novel 7-hydroxycoumarin based fluorescent labels

  摘要：

  Five new 7-hydroxy-8-(N-alkylaminomethyl)coumarin labels (6a-e) were prepared from 4-(4-carboxybutyl)-7-hydroxycoumarin (4) in 28-48% yield. Compared to 4-methylumbelliferone (4-MU, 1), the new fluorescent labels exhibited higher emission intensity over a broader pH range. Extinction coefficients, quantum yields and pKa values are also reported for these labels. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0960-894x(97)00345-4
• 作为产物：
  描述：

  3-氧代-1,8-辛酸二甲酯 、 间苯二酚 在 lithium hydroxide 、 硫酸 作用下， 生成 5-(7-Hydroxy-2-oxochromen-4-yl)pentanoic acid
  参考文献：
  名称：

  SYNTHESIS OF 7-HYDROXY-4-(ω-CARBOXYALKYL)COUMARINS AND 7-(DIMETHYLAMINO)-4-(ω-CARBOXYALKYL)COUMARINS

  摘要：

  DOI：

  10.1080/00304949609458577

文献信息

• US7172877B2
  申请人：——

  公开号：US7172877B2

  公开（公告）日：2007-02-06
• SYNTHESIS OF 7-HYDROXY-4-(ω-CARBOXYALKYL)COUMARINS AND 7-(DIMETHYLAMINO)-4-(ω-CARBOXYALKYL)COUMARINS
  作者：Maciej Adamczyk、Phillip G. Mattingly、You Pan、Sushil Rege

  DOI：10.1080/00304949609458577

  日期：1996.10
• Novel 7-hydroxycoumarin based fluorescent labels
  作者：Maciej Adamczyk、Michael Cornwell、Jeff Huff、Sushil Rege、Tata Venkata S. Rao

  DOI：10.1016/s0960-894x(97)00345-4

  日期：1997.8

  Five new 7-hydroxy-8-(N-alkylaminomethyl)coumarin labels (6a-e) were prepared from 4-(4-carboxybutyl)-7-hydroxycoumarin (4) in 28-48% yield. Compared to 4-methylumbelliferone (4-MU, 1), the new fluorescent labels exhibited higher emission intensity over a broader pH range. Extinction coefficients, quantum yields and pKa values are also reported for these labels. (C) 1997 Elsevier Science Ltd.